Ligand id: 4813

Name: saquinavir

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 5
Rotatable bonds 16
Topological polar surface area 166.75
Molecular weight 670.38
XLogP 6.48
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

1. Fitzsimmons ME, Collins JM. (1997)
Selective biotransformation of the human immunodeficiency virus protease inhibitor saquinavir by human small-intestinal cytochrome P4503A4: potential contribution to high first-pass metabolism.
Drug Metab. Dispos., 25 (2): 256-66. [PMID:9029057]